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Structure of PDB 4ire Chain D Binding Site BS05

Receptor Information
>4ire Chain D (length=313) Species: 251221 (Gloeobacter violaceus PCC 7421) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVSPPPPIADEPLTVNTGIYLIECYSLDDKAETFKVNAFLSLSWKDRRLA
FDPVRSGVRVKTYEPEAIWIPEIRFVNVENARDADVVNISVSPDGTVQYL
ERFSARVLSPLDFRRYPFDSQTLHIYLIVRSVDTRNIVLAVDLEKVGKND
DVFLTGWDIESFTAVVKPANFALQNRLESKLDYQLRISRQYFSYIPNIIL
PMLFILFISWTAFWSTSYEANVTLVVSTLIAHIAFNILVETNLPKTPYMT
YTGAIIFMIYLFYFVAVIEVTVQHYLKVESQPARAASITRASRIAFPVVF
LLANIILAFLFFG
Ligand information
Ligand IDLMD
InChIInChI=1S/C26H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-25-23(33)21(31)24(18(16-28)36-25)37-26-22(32)20(30)19(29)17(15-27)35-26/h17-33H,2-16H2,1H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1
InChIKeyUKPROSIGWJBJGA-IWODYCRQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
CACTVS 3.370CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
ACDLabs 12.01O(CCCCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
CACTVS 3.370CCCCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
FormulaC26 H50 O11
Nametetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside;
n-Tetradecyl-b-D-maltopyranosid
ChEMBL
DrugBank
ZINCZINC000098209120
PDB chain4ire Chain E Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4ire Signal transduction pathways in the pentameric ligand-gated ion channels.
Resolution3.19 Å
Binding residue
(original residue number in PDB)		A237 N245
Binding residue
(residue number reindexed from 1)		A234 N242
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ire, PDBe:4ire, PDBj:4ire
PDBsum4ire
PubMed23667707
UniProtQ7NDN8|GLIC_GLOVI Proton-gated ion channel (Gene Name=glvI)

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